Identifier Cleaner
Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.
Example: aspirin
→ CC(=O)Oc1ccccc1C(=O)O
CC(C)c1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)no1
InChI=1S/C22H17Cl2N5O/c1-12(2)22-27-21(28-30-22)20-18-10-25-19(14-5-3-4-6-16(14)24)15-9-13(23)7-8-17(15)29(18)11-26-20/h3-9,11-12H,10H2,1-2H3
IJPHGOPFJRDONA-UHFFFAOYSA-N
438.32